PROTACpedia
Discovery of novel small molecule induced selective degradation of the bromodomain and extra-terminal (BET) bromodomain protein BRD4 and BRD2 with cellular potencies. Bioorg Med Chem. 2020 Jan 1;28(1):115181. PMID:31767403 DOI:10.1016/j.bmc.2019.115181
Target: BRD2 Bromodomain-containing protein 2 P25440 Homo sapiens
E3 ligase: Cereblon
E3 binder: Pomalidomide
SMILES: show
Ligand Name: compound 6
IC50: = 49.5 nM
SMILES: show
Calculated Values
MW: 766.83
Hbond donors: 4
Hbond acceptors: 10
cLogP: 3.58
TPSA: 200.39

SMILES: show
Linker type: Alkane
Incubation time (hours): 1,2,4,6,16,24
Cells: Big sellection of cacer cell lines
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: EC50 of ligand is 0.370 μM for MV4- 11, 3.369 μM for Molm-13. EC50 of PROTAC is 0.012uM for MV4-11, 0.052uM for Molm-13.
Contributed by: Daniel Zaidman
Calculated Values
MW: 752.81
Hbond donors: 4
Hbond acceptors: 10
cLogP: 3.19
TPSA: 200.39

SMILES: show
Linker type: Alkane
Incubation time (hours): 1,2,4,6,16,24
Cells: MV4-11, Molm-13
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: EC50 of ligand is 0.370 μM for MV4- 11, 3.369 μM for Molm-13. EC50 of PROTAC is 0.025uM for MV4-11, 0.18uM for Molm-13
Contributed by: Daniel Zaidman
Calculated Values
MW: 780.86
Hbond donors: 4
Hbond acceptors: 10
cLogP: 3.97
TPSA: 200.39

SMILES: show
Linker type: Alkane
Incubation time (hours): 1,2,4,6,16,24
Cells: MV4-11, Molm-13
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: EC50 of ligand is 0.370 μM for MV4- 11, 3.369 μM for Molm-13. EC50 of PROTAC is 0.032uM for MV4-11, 0.177uM for Molm-13.
Contributed by: Daniel Zaidman